4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-4-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]coumarin Formula: C15H11NO4S MolecularWeight: 301.31714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC2=CC(=O)OC3=C2C=CC(=C3)O)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC2=CC(=O)OC3=C2C=CC(=C3)O)[O-]

InChI

InChI=1S/C15H11NO4S/c17-11-4-5-12-10(7-15(18)20-13(12)8-11)9-21-14-3-1-2-6-16(14)19/h1-8,17H,9H2